amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite

C12H17N3O9P- — CID 22267098

IUPACamino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite
SMILESNP([O-])OC(COCCOCCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O9P/c13-25(21)24-12(8-23-6-5-22-4-3-16)10-2-1-9(14(17)18)7-11(10)15(19)20/h1-2,7,12,16H,3-6,8,13H2/q-1
InChIKeyXHRQNHRRCNPXRF-UHFFFAOYSA-N
MW378.25 g/mol
LogP0.13
Rot. Bonds12

About amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite

amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite (PubChem CID 22267098) has the molecular formula C12H17N3O9P- and a molecular weight of 378.25 g/mol. Its IUPAC name is amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite.

Molecular Properties

Compound Nameamino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite
PubChem CID22267098
Molecular FormulaC12H17N3O9P-
Molecular Weight378.25 g/mol
Exact Mass378.07
IUPAC Nameamino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite
SMILESNP([O-])OC(COCCOCCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C12H17N3O9P/c13-25(21)24-12(8-23-6-5-22-4-3-16)10-2-1-9(14(17)18)7-11(10)15(19)20/h1-2,7,12,16H,3-6,8,13H2/q-1
InChIKeyXHRQNHRRCNPXRF-UHFFFAOYSA-N
XLogP0.13
TPSA183.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethyl 2,2-bis(2,4-dinitrophenyl)-2-hydroxyacetate
CID 142722325
(1S)-1-(2,4-dinitrophenyl)ethanamine
CID 54102317
2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 14691830
2-[2-[(4-nitrophenyl)methoxy]ethoxy]ethanol
CID 15221740
dimethyl 2-(2,4-dinitrophenyl)propanedioate
CID 3744583
2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
methyl (2S)-2-(2,4-dinitrophenyl)propanoate
CID 57415967
2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
2-[2-[2-[2-[3-(4-nitrophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 22975886
1-[(1S,2R)-1,2-dibromo-2-[4-[(1R,2S)-1,2-dibromo-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitrobenzene
CID 100805136

Frequently Asked Questions

What is the IUPAC name of amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite?
The IUPAC name of amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite (CID 22267098) is amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite.
What is the SMILES notation for amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite?
The canonical SMILES for amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite is NP([O-])OC(COCCOCCO)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite?
The InChIKey is XHRQNHRRCNPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O9P/c13-25(21)24-12(8-23-6-5-22-4-3-16)10-2-1-9(14(17)18)7-11(10)15(19)20/h1-2,7,12,16H,3-6,8,13H2/q-1.
What are the key properties of amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite?
amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite has a molecular weight of 378.25 g/mol, XLogP of 0.13, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-(2,4-dinitrophenyl)-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinite is sourced from PubChem (CID 22267098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).